Molecule

ID:53928

General Information
Structure
MolImage
Molecular Formula
C₃H₂Cl₂N₂S
Molecular Mass
169.03238
Exact Mass
167.93157443
Charge
0
InChI
InChI=1S/C3H2Cl2N2S/c4-1-2-6-3(5)8-7-2/h1H2
InChIKey
FFFMIFUBJZBTCG-UHFFFAOYSA-N
Canonic Smiles
ClCc1nsc(n1)Cl
Isomeric Smiles
n1c(CCl)nsc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1887186
LogD (pH = 7.4)
2.1887186
Log P
2.1887186
Molar Refractivity
35.4832
Polarizability
13.193402
Polar Surface Area
25.78
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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